2-[2,3-dihydro-1H-inden-2-yl-[3-(3,3-dimethylbutanoylsulfanyl)-2-methyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[2,3-dihydro-1H-inden-2-yl-[3-(3,3-dimethylbutanoylsulfanyl)-2-methyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[3-(3,3-dimethylbutanoylsulfanyl)-2-methyl-propanoyl]-indan-2-yl-amino]acetic acid CAS Name: 2-[2,3-dihydro-1H-inden-2-yl-[3-[(3,3-dimethyl-1-oxobutyl)thio]-2-methyl-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[2,3-dihydro-1H-inden-2-yl-[3-(3,3-dimethylbutanoylsulfanyl)-2-methylpropanoyl]amino]acetic acid Traditional Name: 2-[[3-(3,3-dimethylbutanoylthio)-2-methyl-propanoyl]-indan-2-yl-amino]acetic acid Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)CC(C)(C)C)C(=O)N(CC(=O)O)C1CC2=CC=CC=C2C1

Isomeric SMILES

CC(CSC(=O)CC(C)(C)C)C(=O)N(CC(=O)O)C1CC2=CC=CC=C2C1

InChI

InChI=1S/C21H29NO4S/c1-14(13-27-19(25)11-21(2,3)4)20(26)22(12-18(23)24)17-9-15-7-5-6-8-16(15)10-17/h5-8,14,17H,9-13H2,1-4H3,(H,23,24)